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16708-13-7 | Alanine, N,N-dimethyl-, hydrochloride (9CI)
CAS No: 16708-13-7 Catalog No: AG001X44 MDL No:MFCD11506640
Product Description
Catalog Number:
AG001X44
Chemical Name:
Alanine, N,N-dimethyl-, hydrochloride (9CI)
CAS Number:
16708-13-7
Molecular Formula:
C5H12ClNO2
Molecular Weight:
153.6073
MDL Number:
MFCD11506640
IUPAC Name:
2-(dimethylamino)propanoic acid;hydrochloride
InChI:
InChI=1S/C5H11NO2.ClH/c1-4(5(7)8)6(2)3;/h4H,1-3H3,(H,7,8);1H
InChI Key:
BBAXRWHVFQQQEC-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)O)N(C)C.Cl
Properties
Complexity:
90.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.606g/mol
Monoisotopic Mass:
153.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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